SCHEMBL5711020

SCHEMBL5711020

OCCCCCCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCCCCCCO)cc2)cc1.[O-]B(F)F.[O-]B(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BCHE P06276 10/20 0.36
ACHE P22303 10/20 0.36
CHKA P35790 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2609284 0.88 MEN1 (0.61) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL2609280 0.88 MEN1 (0.61) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5710992 0.87 ALDH1A1 (0.47) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL7170664 0.86 MEN1 (0.59) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5711022 0.85 MEN1 (0.53) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL6660802 0.81 KMT2A (0.78) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL2609281 0.79 MEN1 (0.62) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5710989 0.78 MAPT (0.50) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL30634569 0.76 MEN1 (0.41) MEN1TP53CYP1A2CYP2D6MAPT
SCHEMBL5710972 0.74 ALDH1A1 (0.54) MEN1TP53CYP1A2CYP2D6MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027397-B1 ELECTROCHROME POLYMER SYSTEMS BAYER INNOVATION GMBH (DE) 2006-10-18 EP disclosed
US-6569361-B1 Polycondensation or polyaddition of electrochromic monomers are used in devices for variable transparency BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed